2-(2,4-difluorophenyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C19H18F2N4O2 — CID 134794012

IUPAC2-(2,4-difluorophenyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCOc1ccc(CN2CCn3c(nn(-c4ccc(F)cc4F)c3=O)C2)cc1
InChIInChI=1S/C19H18F2N4O2/c1-27-15-5-2-13(3-6-15)11-23-8-9-24-18(12-23)22-25(19(24)26)17-7-4-14(20)10-16(17)21/h2-7,10H,8-9,11-12H2,1H3
InChIKeyUOPRGHWYADKTSV-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.34
Rot. Bonds4

About 2-(2,4-difluorophenyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-(2,4-difluorophenyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 134794012) has the molecular formula C19H18F2N4O2 and a molecular weight of 372.38 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID134794012
Molecular FormulaC19H18F2N4O2
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name2-(2,4-difluorophenyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCOc1ccc(CN2CCn3c(nn(-c4ccc(F)cc4F)c3=O)C2)cc1
InChIInChI=1S/C19H18F2N4O2/c1-27-15-5-2-13(3-6-15)11-23-8-9-24-18(12-23)22-25(19(24)26)17-7-4-14(20)10-16(17)21/h2-7,10H,8-9,11-12H2,1H3
InChIKeyUOPRGHWYADKTSV-UHFFFAOYSA-N
XLogP2.34
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-(2,4-difluorophenyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 134794012) is 2-(2,4-difluorophenyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-(2,4-difluorophenyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-(2,4-difluorophenyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is COc1ccc(CN2CCn3c(nn(-c4ccc(F)cc4F)c3=O)C2)cc1.
What is the InChIKey of 2-(2,4-difluorophenyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is UOPRGHWYADKTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O2/c1-27-15-5-2-13(3-6-15)11-23-8-9-24-18(12-23)22-25(19(24)26)17-7-4-14(20)10-16(17)21/h2-7,10H,8-9,11-12H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-(2,4-difluorophenyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 372.38 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 134794012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).